These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

175 related articles for article (PubMed ID: 32160194)

  • 1. Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking.
    Deeks HM; Walters RK; Hare SR; O'Connor MB; Mulholland AJ; Glowacki DR
    PLoS One; 2020; 15(3):e0228461. PubMed ID: 32160194
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework.
    O'Connor MB; Bennie SJ; Deeks HM; Jamieson-Binnie A; Jones AJ; Shannon RJ; Walters R; Mitchell TJ; Mulholland AJ; Glowacki DR
    J Chem Phys; 2019 Jun; 150(22):220901. PubMed ID: 31202243
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular Docking Improved with Human Spatial Perception Using Virtual Reality.
    Mishra S; Corro-Flores M; Krum D; Forouzesh N
    IEEE Trans Vis Comput Graph; 2024 May; 30(5):2269-2275. PubMed ID: 38451773
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Free energy along drug-protein binding pathways interactively sampled in virtual reality.
    Deeks HM; Zinovjev K; Barnoud J; Mulholland AJ; van der Kamp MW; Glowacki DR
    Sci Rep; 2023 Oct; 13(1):16665. PubMed ID: 37794083
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease.
    Deeks HM; Walters RK; Barnoud J; Glowacki DR; Mulholland AJ
    J Chem Inf Model; 2020 Dec; 60(12):5803-5814. PubMed ID: 33174415
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Interactive Flexible-Receptor Molecular Docking in Virtual Reality Using DockIT.
    Iakovou G; Laycock SD; Hayward S
    J Chem Inf Model; 2022 Dec; 62(23):5855-5861. PubMed ID: 36398912
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The emerging potential of interactive virtual reality in drug discovery.
    Walters RK; Gale EM; Barnoud J; Glowacki DR; Mulholland AJ
    Expert Opin Drug Discov; 2022 Jul; 17(7):685-698. PubMed ID: 35638298
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExplore.
    Dickson A; Lotz SD
    Biophys J; 2017 Feb; 112(4):620-629. PubMed ID: 28256222
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Analysis and assay of oseltamivir-resistant mutants of influenza neuraminidase via direct observation of drug unbinding and rebinding in simulation.
    Woods CJ; Malaisree M; Long B; McIntosh-Smith S; Mulholland AJ
    Biochemistry; 2013 Nov; 52(45):8150-64. PubMed ID: 24128064
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Exploring the Ligand Binding/Unbinding Pathway by Selectively Enhanced Sampling of Ligand in a Protein-Ligand Complex.
    Shao Q; Zhu W
    J Phys Chem B; 2019 Sep; 123(38):7974-7983. PubMed ID: 31478672
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method.
    Nguyen H; Tran T; Fukunishi Y; Higo J; Nakamura H; Le L
    J Chem Inf Model; 2015 Sep; 55(9):1936-43. PubMed ID: 26247106
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Interactive molecular dynamics in virtual reality for modelling materials and catalysts.
    Crossley-Lewis J; Dunn J; Buda C; Sunley GJ; Elena AM; Todorov IT; Yong CW; Glowacki DR; Mulholland AJ; Allan NL
    J Mol Graph Model; 2023 Dec; 125():108606. PubMed ID: 37660615
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multi-Dimensional Screening Strategy for Drug Repurposing with Statistical Framework-A New Road to Influenza Drug discovery.
    Rohini K; Ramanathan K; Shanthi V
    Cell Biochem Biophys; 2019 Dec; 77(4):319-333. PubMed ID: 31559538
    [TBL] [Abstract][Full Text] [Related]  

  • 14. How Effectively Can Adaptive Sampling Methods Capture Spontaneous Ligand Binding?
    Betz RM; Dror RO
    J Chem Theory Comput; 2019 Mar; 15(3):2053-2063. PubMed ID: 30645108
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models.
    Plattner N; Noé F
    Nat Commun; 2015 Jul; 6():7653. PubMed ID: 26134632
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Dynamic behavior of avian influenza A virus neuraminidase subtype H5N1 in complex with oseltamivir, zanamivir, peramivir, and their phosphonate analogues.
    Udommaneethanakit T; Rungrotmongkol T; Bren U; Frecer V; Stanislav M
    J Chem Inf Model; 2009 Oct; 49(10):2323-32. PubMed ID: 19780597
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Understanding of known drug-target interactions in the catalytic pocket of neuraminidase subtype N1.
    Malaisree M; Rungrotmongkol T; Decha P; Intharathep P; Aruksakunwong O; Hannongbua S
    Proteins; 2008 Jun; 71(4):1908-18. PubMed ID: 18175324
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Distributed automated docking of flexible ligands to proteins: parallel applications of AutoDock 2.4.
    Morris GM; Goodsell DS; Huey R; Olson AJ
    J Comput Aided Mol Des; 1996 Aug; 10(4):293-304. PubMed ID: 8877701
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Elucidating the energetics of entropically driven protein-ligand association: calculations of absolute binding free energy and entropy.
    Deng NJ; Zhang P; Cieplak P; Lai L
    J Phys Chem B; 2011 Oct; 115(41):11902-10. PubMed ID: 21899337
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Rapid Rescoring and Refinement of Ligand-Receptor Complexes Using Replica Exchange Molecular Dynamics with a Monte Carlo Pose Reservoir.
    Alcantara J; Chiu K; Bickel JD; Rizzo RC; Simmerling C
    J Chem Theory Comput; 2023 Nov; 19(21):7934-7945. PubMed ID: 37831619
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.